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Patent code US10138241

Compile Data Set for Download or QSAR
Found 97 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303823
PNG
(US10138241, Example 7)
Show SMILES CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26)
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US Patent
n/an/a 0.990n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303909
PNG
(N-Cyclopropyl-5-{1-[7-ethoxy-6-(4-fluoro-1-methyl-...)
Show SMILES CCOc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
Show InChI InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303849
PNG
(US10138241, Example 35)
Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303859
PNG
(US10138241, Example 45)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(NC(=O)C2CC2)s1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N5O2S/c1-12-2-3-14(20(28)24-16-6-7-16)8-17(12)15-9-23-26(11-15)18-10-22-21(29-18)25-19(27)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,24,28)(H,22,25,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303826
PNG
(US10138241, Example 10)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1
Show InChI InChI=1S/C24H23ClFN5O3S/c1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15/h6-13,15H,4-5H2,1-3H3,(H,29,32)
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n/an/a 1.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303914
PNG
(N-Cyclopropyl-5-{1-[6-(1-ethyl-4-fluoro-piperidin-...)
Show SMILES CCN1CCC(F)(CC1)c1cn2c(cnc2cc1OC)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303911
PNG
(N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-((R)-1-met...)
Show SMILES CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303887
PNG
(US10138241, Example 75)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(C)(C)O)C(=O)NC1CC1
Show InChI InChI=1S/C24H24FN5O2/c1-14-8-20(25)19(23(31)28-17-5-6-17)9-18(14)15-10-27-30(12-15)22-11-26-21-7-4-16(13-29(21)22)24(2,3)32/h4,7-13,17,32H,5-6H2,1-3H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303907
PNG
(N-Cyclopropyl-2-fluoro-5-{1-[6-(4-fluoro-1-methylp...)
Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
Show InChI InChI=1S/C28H30F2N6O2/c1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28/h10-16,19H,4-9H2,1-3H3,(H,33,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303906
PNG
(N-Cyclopropyl-5-{1-[6-(1-dimethylcarbamoylmethyl-p...)
Show SMILES CN(C)C(=O)CN1CCC(CC1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C30H34FN7O2/c1-19-12-26(31)25(30(40)34-23-5-6-23)13-24(19)22-14-33-38(17-22)28-15-32-27-7-4-21(16-37(27)28)20-8-10-36(11-9-20)18-29(39)35(2)3/h4,7,12-17,20,23H,5-6,8-11,18H2,1-3H3,(H,34,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303843
PNG
(US10138241, Example 29)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn2ccc(cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303850
PNG
(US10138241, Example 36)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C25H25FN6O4S/c1-16-10-22(26)21(25(33)29-18-2-3-18)11-20(16)17-12-28-32(14-17)24-13-27-23-5-4-19(15-31(23)24)37(34,35)30-6-8-36-9-7-30/h4-5,10-15,18H,2-3,6-9H2,1H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303912
PNG
(US10138241, Example 99)
Show SMILES CN1CC[C@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303905
PNG
(N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-(1-oxetan-...)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C1CCN(CC1)C1COC1)C(=O)NC1CC1
Show InChI InChI=1S/C29H31FN6O2/c1-18-10-26(30)25(29(37)33-22-3-4-22)11-24(18)21-12-32-36(15-21)28-13-31-27-5-2-20(14-35(27)28)19-6-8-34(9-7-19)23-16-38-17-23/h2,5,10-15,19,22-23H,3-4,6-9,16-17H2,1H3,(H,33,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303894
PNG
(US10138241, Example 81-2)
Show SMILES C[C@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303872
PNG
(US10138241, Example 60)
Show SMILES CNCCNC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C25H26FN7O2/c1-15-9-21(26)20(25(35)31-18-4-5-18)10-19(15)17-11-30-33(14-17)23-12-29-22-6-3-16(13-32(22)23)24(34)28-8-7-27-2/h3,6,9-14,18,27H,4-5,7-8H2,1-2H3,(H,28,34)(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303834
PNG
(US10138241, Example 19)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-12-27-30(14-18)23-13-26-22-10-9-20(15-29(22)23)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303908
PNG
(N-Cyclopropyl-5-[1-(6-dimethylaminomethyl-7-methox...)
Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1CN(C)C
Show InChI InChI=1S/C25H27FN6O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303871
PNG
(3-[4-(5-Cyclopropylcarbamoyl-4-fluoro-2-methyl-phe...)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(=O)NCCO)C(=O)NC1CC1
Show InChI InChI=1S/C24H23FN6O3/c1-14-8-20(25)19(24(34)29-17-3-4-17)9-18(14)16-10-28-31(13-16)22-11-27-21-5-2-15(12-30(21)22)23(33)26-6-7-32/h2,5,8-13,17,32H,3-4,6-7H2,1H3,(H,26,33)(H,29,34)
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303893
PNG
(US10138241, Example 81-1)
Show SMILES C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)/t14-/m1/s1
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303913
PNG
(US10138241, Example 100)
Show SMILES COc1cc2ncc(-n3cnc(c3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1
Show InChI InChI=1S/C28H30F2N6O2/c1-17-10-22(29)20(27(37)33-18-4-5-18)11-19(17)23-15-35(16-32-23)26-13-31-25-12-24(38-3)21(14-36(25)26)28(30)6-8-34(2)9-7-28/h10-16,18H,4-9H2,1-3H3,(H,33,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303818
PNG
(3-[4-(5-Cyclopropylcarbamoyl-4-fluoro-2-methyl-phe...)
Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C(=O)N(C)C
Show InChI InChI=1S/C25H25FN6O3/c1-14-7-20(26)18(24(33)29-16-5-6-16)8-17(14)15-10-28-32(12-15)23-11-27-22-9-21(35-4)19(13-31(22)23)25(34)30(2)3/h7-13,16H,5-6H2,1-4H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303883
PNG
(N-Cyclopropyl-2-fluoro-5-{1-[6-(1-hydroxy-ethyl)-i...)
Show SMILES CC(O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C23H22FN5O2/c1-13-7-20(24)19(23(31)27-17-4-5-17)8-18(13)16-9-26-29(12-16)22-10-25-21-6-3-15(14(2)30)11-28(21)22/h3,6-12,14,17,30H,4-5H2,1-2H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303827
PNG
(US10138241, Example 11)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnn2ccccc12
Show InChI InChI=1S/C20H15ClFN5O/c21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-23-27(11-12)19-10-24-26-6-2-1-3-18(19)26/h1-3,6-11,13H,4-5H2,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303825
PNG
(US10138241, Example 9)
Show SMILES COc1cn2c(cnc2cn1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C20H16ClFN6O2/c1-30-18-10-27-17(7-24-18)23-8-19(27)28-9-11(6-25-28)13-4-14(16(22)5-15(13)21)20(29)26-12-2-3-12/h4-10,12H,2-3H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303881
PNG
(US10138241, Example 69)
Show SMILES CN(C)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C24H23FN6O2/c1-14-8-20(25)19(23(32)28-17-5-6-17)9-18(14)16-10-27-31(13-16)22-11-26-21-7-4-15(12-30(21)22)24(33)29(2)3/h4,7-13,17H,5-6H2,1-3H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303830
PNG
(US10138241, Example 14)
Show SMILES CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H19N5O2S/c1-11-3-4-13(18(26)23-15-5-6-15)7-16(11)14-8-21-24(10-14)17-9-20-19(27-17)22-12(2)25/h3-4,7-10,15H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303880
PNG
(US10138241, Example 68)
Show SMILES CNC(=O)c1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-18-5-6-18)9-19(14)17-11-26-29(13-17)21-12-25-20-10-16(22(30)24-2)7-8-28(20)21/h3-4,7-13,18H,5-6H2,1-2H3,(H,24,30)(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303879
PNG
(US10138241, Example 67)
Show SMILES CNC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-18-6-7-18)9-19(14)17-10-26-29(13-17)21-11-25-20-8-5-16(12-28(20)21)22(30)24-2/h3-5,8-13,18H,6-7H2,1-2H3,(H,24,30)(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303896
PNG
(US10138241, Example 82-2)
Show SMILES C[C@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303910
PNG
(N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-(1-methyl-...)
Show SMILES CN1CC(C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C25H25FN6O/c1-15-7-22(26)21(25(33)29-19-4-5-19)8-20(15)17-9-28-32(14-17)24-10-27-23-6-3-16(13-31(23)24)18-11-30(2)12-18/h3,6-10,13-14,18-19H,4-5,11-12H2,1-2H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303891
PNG
(3-{1-[6-(Azetidine-3-sulfonyl)-imidazo[1,2-a]pyrid...)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1CNC1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24N6O3S/c1-15-2-3-16(24(31)28-18-4-5-18)8-21(15)17-9-27-30(13-17)23-12-26-22-7-6-19(14-29(22)23)34(32,33)20-10-25-11-20/h2-3,6-9,12-14,18,20,25H,4-5,10-11H2,1H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303821
PNG
(US10138241, Example 5)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnc2ccccn12
Show InChI InChI=1S/C20H15ClFN5O/c21-16-8-17(22)15(20(28)25-13-4-5-13)7-14(16)12-9-24-27(11-12)19-10-23-18-3-1-2-6-26(18)19/h1-3,6-11,13H,4-5H2,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303846
PNG
(US10138241, Example 32)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccccn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H18FN5O/c1-13-8-18(22)17(21(28)25-15-5-6-15)9-16(13)14-10-24-27(12-14)20-11-23-19-4-2-3-7-26(19)20/h2-4,7-12,15H,5-6H2,1H3,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303847
PNG
(US10138241, Example 33)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H26FN5O3S/c1-15-9-21(26)20(24(32)29-17-5-6-17)10-19(15)16-11-28-31(13-16)23-12-27-22-8-7-18(14-30(22)23)35(33,34)25(2,3)4/h7-14,17H,5-6H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303898
PNG
(US10138241, Example 85)
Show SMILES COCCOc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O3/c1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2/h3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303853
PNG
(US10138241, Example 39)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C26H28FN7O3S/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303899
PNG
(US10138241, Example 86)
Show SMILES COc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H21N5O2/c1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-11-24-27(13-16)21-12-23-20-10-18(29-2)7-8-26(20)21/h3-4,7-13,17H,5-6H2,1-2H3,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303874
PNG
(US10138241, Example 62)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2cc(ccn12)C(N)=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H20N6O2/c1-13-2-3-15(22(30)26-17-4-5-17)8-18(13)16-10-25-28(12-16)20-11-24-19-9-14(21(23)29)6-7-27(19)20/h2-3,6-12,17H,4-5H2,1H3,(H2,23,29)(H,26,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303845
PNG
(US10138241, Example 31)
Show SMILES CCOc1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H23N5O2/c1-3-30-19-8-9-27-21(11-19)24-13-22(27)28-14-17(12-25-28)20-10-16(5-4-15(20)2)23(29)26-18-6-7-18/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303884
PNG
(US10138241, Example 72)
Show SMILES CC(O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303848
PNG
(US10138241, Example 34)
Show SMILES COc1cn2c(cnc2cn1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
Show InChI InChI=1S/C21H19FN6O2/c1-12-5-17(22)16(21(29)26-14-3-4-14)6-15(12)13-7-25-28(10-13)20-9-23-18-8-24-19(30-2)11-27(18)20/h5-11,14H,3-4H2,1-2H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303838
PNG
(US10138241, Example 23)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(SC3COC3)cn12)C(=O)NC1CC1
Show InChI InChI=1S/C24H23N5O2S/c1-15-2-3-16(24(30)27-18-4-5-18)8-21(15)17-9-26-29(11-17)23-10-25-22-7-6-19(12-28(22)23)32-20-13-31-14-20/h2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303819
PNG
(3-[4-(5-Cyclopropylcarbamoyl-4-fluoro-2-methyl-phe...)
Show SMILES COC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C23H20FN5O3/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2/h3,6-12,16H,4-5H2,1-2H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303873
PNG
(US10138241, Example 61)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2cc(ccn12)C(=O)NCCO)C(=O)NC1CC1
Show InChI InChI=1S/C24H24N6O3/c1-15-2-3-16(24(33)28-19-4-5-19)10-20(15)18-12-27-30(14-18)22-13-26-21-11-17(6-8-29(21)22)23(32)25-7-9-31/h2-3,6,8,10-14,19,31H,4-5,7,9H2,1H3,(H,25,32)(H,28,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303851
PNG
(US10138241, Example 37)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C25H26N6O4S/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303882
PNG
(US10138241, Example 70)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1
Show InChI InChI=1S/C27H28FN7O2/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303904
PNG
(N-Cyclopropyl-3-[1-(6-methoxy-imidazo[1,2-a]pyridi...)
Show SMILES COc1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C22H21N5O2/c1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-10-24-27(12-16)21-11-23-20-8-7-18(29-2)13-26(20)21/h3-4,7-13,17H,5-6H2,1-2H3,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303895
PNG
(US10138241, Example 82-1)
Show SMILES C[C@@H](O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303836
PNG
(US10138241, Example 21)
Show SMILES CS(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1
Show InChI InChI=1S/C21H17ClFN5O3S/c1-32(30,31)14-4-5-19-24-9-20(27(19)11-14)28-10-12(8-25-28)15-6-16(18(23)7-17(15)22)21(29)26-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303889
PNG
(N-Cyclopropyl-4-methyl-3-{1-[6-(oxetane-3-sulfonyl...)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1COC1)C(=O)NC1CC1
Show InChI InChI=1S/C24H23N5O4S/c1-15-2-3-16(24(30)27-18-4-5-18)8-21(15)17-9-26-29(11-17)23-10-25-22-7-6-19(12-28(22)23)34(31,32)20-13-33-14-20/h2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303833
PNG
(US10138241, Example 17)
Show SMILES CC(=O)Nc1ncc(s1)-n1cnc(c1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H19N5O2S/c1-11-3-4-13(18(26)23-14-5-6-14)7-15(11)16-9-24(10-21-16)17-8-20-19(27-17)22-12(2)25/h3-4,7-10,14H,5-6H2,1-2H3,(H,23,26)(H,20,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303878
PNG
(US10138241, Example 66)
Show SMILES CN(C)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C24H24N6O2/c1-15-4-5-16(23(31)27-19-7-8-19)10-20(15)18-11-26-30(14-18)22-12-25-21-9-6-17(13-29(21)22)24(32)28(2)3/h4-6,9-14,19H,7-8H2,1-3H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303875
PNG
(US10138241, Example 63)
Show SMILES CNCCNC(=O)c1ccn2c(cnc2c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N7O2/c1-16-3-4-17(25(34)30-20-5-6-20)11-21(16)19-13-29-32(15-19)23-14-28-22-12-18(7-10-31(22)23)24(33)27-9-8-26-2/h3-4,7,10-15,20,26H,5-6,8-9H2,1-2H3,(H,27,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303869
PNG
(US10138241, Example 57)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H19N5O3/c1-13-2-3-14(21(28)25-17-5-6-17)8-18(13)16-9-24-27(12-16)20-10-23-19-7-4-15(22(29)30)11-26(19)20/h2-4,7-12,17H,5-6H2,1H3,(H,25,28)(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303888
PNG
(3-[1-(6-Acetyl-imidazo[1,2-a]pyridin-3-yl)-1H-pyra...)
Show SMILES CC(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H21N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,19H,6-7H2,1-2H3,(H,26,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303877
PNG
(US10138241, Example 65)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C27H29N7O2/c1-18-3-4-19(26(35)30-22-6-7-22)13-23(18)21-14-29-34(17-21)25-15-28-24-8-5-20(16-33(24)25)27(36)32-11-9-31(2)10-12-32/h3-5,8,13-17,22H,6-7,9-12H2,1-2H3,(H,30,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303903
PNG
(N-Cyclopropyl-4-methyl-3-{1-[5-(2-methyl-propane-2...)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn2CCN(Cc12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C24H30N6O3S/c1-16-5-6-17(23(31)27-19-7-8-19)11-20(16)18-12-25-30(14-18)21-13-26-29-10-9-28(15-22(21)29)34(32,33)24(2,3)4/h5-6,11-14,19H,7-10,15H2,1-4H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303892
PNG
(US10138241, Example 80)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)S(=O)(=O)C1CCNCC1)C(=O)NC1CC1
Show InChI InChI=1S/C26H28N6O3S/c1-17-2-3-18(26(33)30-20-4-5-20)12-23(17)19-13-29-32(15-19)25-14-28-24-7-6-22(16-31(24)25)36(34,35)21-8-10-27-11-9-21/h2-3,6-7,12-16,20-21,27H,4-5,8-11H2,1H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303831
PNG
(US10138241, Example 15)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccccn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19N5O/c1-14-5-6-15(21(27)24-17-7-8-17)10-18(14)16-11-23-26(13-16)20-12-22-19-4-2-3-9-25(19)20/h2-6,9-13,17H,7-8H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303841
PNG
(US10138241, Example 27)
Show SMILES CCS(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O3S/c1-3-32(30,31)19-8-9-21-24-12-22(27(21)14-19)28-13-17(11-25-28)20-10-16(5-4-15(20)2)23(29)26-18-6-7-18/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303822
PNG
(US10138241, Example 6)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cnc2cnccn12
Show InChI InChI=1S/C19H14ClFN6O/c20-15-6-16(21)14(19(28)25-12-1-2-12)5-13(15)11-7-24-27(10-11)18-9-23-17-8-22-3-4-26(17)18/h3-10,12H,1-2H2,(H,25,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303824
PNG
(US10138241, Example 8)
Show SMILES Nc1cccn2c(cnc12)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C20H16ClFN6O/c21-15-7-16(22)14(20(29)26-12-3-4-12)6-13(15)11-8-25-28(10-11)18-9-24-19-17(23)2-1-5-27(18)19/h1-2,5-10,12H,3-4,23H2,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303868
PNG
(3-[4-(5-Cyclopropylcarbamoyl-4-fluoro-2-methyl-phe...)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H18FN5O3/c1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20/h2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303901
PNG
(US10138241, Example 88)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-n1cccn1)C(=O)NC1CC1
Show InChI InChI=1S/C20H18N6OS/c1-13-3-4-14(19(27)24-16-5-6-16)9-17(13)15-10-23-26(12-15)18-11-21-20(28-18)25-8-2-7-22-25/h2-4,7-12,16H,5-6H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303876
PNG
(US10138241, Example 64)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(=O)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C26H26N6O3/c1-17-2-3-18(25(33)29-21-5-6-21)12-22(17)20-13-28-32(16-20)24-14-27-23-7-4-19(15-31(23)24)26(34)30-8-10-35-11-9-30/h2-4,7,12-16,21H,5-6,8-11H2,1H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303897
PNG
(N-Cyclopropyl-4-methyl-3-(1 -methyl-IH-[1,4̸...)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn(C)c1)C(=O)NC1CC1
Show InChI InChI=1S/C18H19N5O/c1-12-3-4-13(18(24)21-15-5-6-15)7-17(12)14-8-20-23(10-14)16-9-19-22(2)11-16/h3-4,7-11,15H,5-6H2,1-2H3,(H,21,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303829
PNG
(US10138241, Example 13)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2cnccn12)C(=O)NC1CC1
Show InChI InChI=1S/C20H18N6O/c1-13-2-3-14(20(27)24-16-4-5-16)8-17(13)15-9-23-26(12-15)19-11-22-18-10-21-6-7-25(18)19/h2-3,6-12,16H,4-5H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303852
PNG
(US10138241, Example 38)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C26H29N7O3S/c1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31/h3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303857
PNG
(US10138241, Example 43)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncs1)C(=O)NC1CC1
Show InChI InChI=1S/C17H16N4OS/c1-11-2-3-12(17(22)20-14-4-5-14)6-15(11)13-7-19-21(9-13)16-8-18-10-23-16/h2-3,6-10,14H,4-5H2,1H3,(H,20,22)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303885
PNG
(US10138241, Example 73)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(O)C1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H29N5O3/c1-17-2-3-19(27(34)30-22-5-6-22)12-23(17)21-13-29-32(16-21)25-14-28-24-7-4-20(15-31(24)25)26(33)18-8-10-35-11-9-18/h2-4,7,12-16,18,22,26,33H,5-6,8-11H2,1H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303832
PNG
(N-Cyclopropyl-3-(1-imidazo[1,2-a]pyridin-3-yl-1H-i...)
Show SMILES Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccccn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19N5O/c1-14-5-6-15(21(27)24-16-7-8-16)10-17(14)18-12-25(13-23-18)20-11-22-19-4-2-3-9-26(19)20/h2-6,9-13,16H,7-8H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303862
PNG
(US10138241, Example 48)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-n1ccccc1=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H19N5O2S/c1-14-5-6-15(21(29)25-17-7-8-17)10-18(14)16-11-24-27(13-16)20-12-23-22(30-20)26-9-3-2-4-19(26)28/h2-6,9-13,17H,7-8H2,1H3,(H,25,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303840
PNG
(US10138241, Example 26)
Show SMILES CNC(=O)c1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2S/c1-21-17(27)18-22-7-15(28-18)25-8-9(6-23-25)11-4-12(14(20)5-13(11)19)16(26)24-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,21,27)(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303886
PNG
(US10138241, Example 74)
Show SMILES CC(O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-16(23(30)26-18-6-7-18)9-19(14)20-12-27(13-25-20)22-10-24-21-8-5-17(15(2)29)11-28(21)22/h3-5,8-13,15,18,29H,6-7H2,1-2H3,(H,26,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303820
PNG
(US10138241, Example 3)
Show SMILES CNC(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-17-6-7-17)9-18(14)19-12-28(13-26-19)21-10-25-20-8-5-16(11-29(20)21)22(30)24-2/h3-5,8-13,17H,6-7H2,1-2H3,(H,24,30)(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303837
PNG
(US10138241, Example 22)
Show SMILES Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccc(cn12)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-18-7-8-18)11-20(16)21-14-29(15-27-21)23-12-26-22-10-9-19(13-30(22)23)34(32,33)25(2,3)4/h5-6,9-15,18H,7-8H2,1-4H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303861
PNG
(US10138241, Example 47)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)-c1ccccc1)C(=O)NC1CC1
Show InChI InChI=1S/C23H20N4OS/c1-15-7-8-17(22(28)26-19-9-10-19)11-20(15)18-12-25-27(14-18)21-13-24-23(29-21)16-5-3-2-4-6-16/h2-8,11-14,19H,9-10H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303860
PNG
(US10138241, Example 46)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5O2S/c1-14-2-3-15(20(27)24-17-4-5-17)10-18(14)16-11-23-26(13-16)19-12-22-21(29-19)25-6-8-28-9-7-25/h2-3,10-13,17H,4-9H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303854
PNG
(US10138241, Example 40)
Show SMILES COC(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C23H21N5O3/c1-14-3-4-15(22(29)26-17-6-7-17)9-18(14)19-12-27(13-25-19)21-10-24-20-8-5-16(11-28(20)21)23(30)31-2/h3-5,8-13,17H,6-7H2,1-2H3,(H,26,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303855
PNG
(US10138241, Example 41)
Show SMILES CN(C)C(=O)c1ccc2ncc(-n3cnc(c3)-c3cc(ccc3C)C(=O)NC3CC3)n2c1
Show InChI InChI=1S/C24H24N6O2/c1-15-4-5-16(23(31)27-18-7-8-18)10-19(15)20-13-29(14-26-20)22-11-25-21-9-6-17(12-30(21)22)24(32)28(2)3/h4-6,9-14,18H,7-8H2,1-3H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303866
PNG
(US10138241, Example 54)
Show SMILES Cc1nnc(s1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C17H17N5OS/c1-10-3-4-12(16(23)19-14-5-6-14)7-15(10)13-8-18-22(9-13)17-21-20-11(2)24-17/h3-4,7-9,14H,5-6H2,1-2H3,(H,19,23)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303842
PNG
(US10138241, Example 28)
Show SMILES COc1cc2nc(cn2cc1S(=O)(=O)C(C)(C)C)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(36(33,34)26(2,3)4)21(35-5)11-23(30)29-24/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303839
PNG
(US10138241, Example 25)
Show SMILES NC(=O)c1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl
Show InChI InChI=1S/C17H13ClFN5O2S/c18-12-4-13(19)11(16(26)23-9-1-2-9)3-10(12)8-5-22-24(7-8)14-6-21-17(27-14)15(20)25/h3-7,9H,1-2H2,(H2,20,25)(H,23,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303844
PNG
(US10138241, Example 30)
Show SMILES CCS(=O)(=O)c1cn2cc(nc2cc1OC)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H25N5O4S/c1-4-34(31,32)21-13-28-14-23(27-22(28)10-20(21)33-3)29-12-17(11-25-29)19-9-16(6-5-15(19)2)24(30)26-18-7-8-18/h5-6,9-14,18H,4,7-8H2,1-3H3,(H,26,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303900
PNG
(US10138241, Example 87)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc2CCCCn12)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5O/c1-14-5-6-15(21(27)24-17-7-8-17)10-18(14)16-11-23-26(13-16)20-12-22-19-4-2-3-9-25(19)20/h5-6,10-13,17H,2-4,7-9H2,1H3,(H,24,27)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303867
PNG
(US10138241, Example 55)
Show SMILES Cc1ncc(n1C)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H21N5O/c1-12-4-5-14(19(25)22-16-6-7-16)8-17(12)15-9-21-24(11-15)18-10-20-13(2)23(18)3/h4-5,8-11,16H,6-7H2,1-3H3,(H,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303870
PNG
(US10138241, Example 58)
Show SMILES Cc1ccc(cc1-c1cn(cn1)-c1cnc2ccc(cn12)C(O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H19N5O3/c1-13-2-3-14(21(28)25-16-5-6-16)8-17(13)18-11-26(12-24-18)20-9-23-19-7-4-15(22(29)30)10-27(19)20/h2-4,7-12,16H,5-6H2,1H3,(H,25,28)(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303858
PNG
(US10138241, Example 44)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(OC2CCC2)s1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O2S/c1-13-5-6-14(20(26)24-16-7-8-16)9-18(13)15-10-23-25(12-15)19-11-22-21(28-19)27-17-3-2-4-17/h5-6,9-12,16-17H,2-4,7-8H2,1H3,(H,24,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303863
PNG
(US10138241, Example 49)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N5OS/c1-14-4-5-15(20(27)24-17-6-7-17)10-18(14)16-11-23-26(13-16)19-12-22-21(28-19)25-8-2-3-9-25/h4-5,10-13,17H,2-3,6-9H2,1H3,(H,24,27)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303890
PNG
(N-Cyclopropyl-3-{1-[7-hydroxy-6-(2-methyl-propane-...)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cn2cc(c(O)cc2n1)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O4S/c1-15-5-6-16(24(32)27-18-7-8-18)9-19(15)17-11-26-30(12-17)23-14-29-13-21(20(31)10-22(29)28-23)35(33,34)25(2,3)4/h5-6,9-14,18,31H,7-8H2,1-4H3,(H,27,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303828
PNG
(US10138241, Example 12)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NC1CC1)-c1cnn(c1)-c1cn2ccnc2cn1
Show InChI InChI=1S/C19H14ClFN6O/c20-15-6-16(21)14(19(28)25-12-1-2-12)5-13(15)11-7-24-27(9-11)18-10-26-4-3-22-17(26)8-23-18/h3-10,12H,1-2H2,(H,25,28)
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US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303865
PNG
(US10138241, Example 53)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(CO)n1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H21N5O2/c1-12-3-4-13(19(26)22-15-5-6-15)7-16(12)14-8-21-24(10-14)18-9-20-17(11-25)23(18)2/h3-4,7-10,15,25H,5-6,11H2,1-2H3,(H,22,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303835
PNG
(US10138241, Example 20)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cn2cc(ccc2n1)S(=O)(=O)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303864
PNG
(US10138241, Example 50)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(s1)N1CCCCC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H25N5OS/c1-15-5-6-16(21(28)25-18-7-8-18)11-19(15)17-12-24-27(14-17)20-13-23-22(29-20)26-9-3-2-4-10-26/h5-6,11-14,18H,2-4,7-10H2,1H3,(H,25,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303856
PNG
(US10138241, Example 42)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnn(c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H25N5O/c1-14-5-6-15(20(27)24-17-7-8-17)9-19(14)16-10-22-25(12-16)18-11-23-26(13-18)21(2,3)4/h5-6,9-13,17H,7-8H2,1-4H3,(H,24,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303902
PNG
(US10138241, Example 89)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1csc(CO)n1)C(=O)NC1CC1
Show InChI InChI=1S/C18H18N4O2S/c1-11-2-3-12(18(24)20-14-4-5-14)6-15(11)13-7-19-22(8-13)16-10-25-17(9-23)21-16/h2-3,6-8,10,14,23H,4-5,9H2,1H3,(H,20,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138241 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%